428706

Source:http://linkedlifedata.com/resource/chembl/compound/428706

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
chemicalCompound:standardIn...	FDEACFAXFCKCHZ-MOROJQBDSA-N
chemicalCompound:canonicalS...	CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
chemicalCompound:molecularF...	C18 H24 N6 O4
chemicalCompound:moleculeId	428706
chemicalCompound:mwFreebase	388.421
chemicalCompound:alogp	0.721
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	148.41
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.89
chemicalCompound:acdLogP	2.81
chemicalCompound:acdLogD	2.81
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	388.421
chemicalCompound:acdMostBpk...	2.334
chemicalCompound:chemblId	CHEMBL410873
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:528706
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3635132, activity:3695193, activity:3867647, activity:3976515, activity:3988092, activity:4084730, activity:4134978, activity:4278544, activity:4358358, activity:4535852, activity:4538214, activity:4828992, activity:4966392, activity:5570016, activity:5696849, activity:5855622, activity:5875719